Hexane

Hexane

SCHEMBL21545666

CCCCCC.CCOC(=O)Cc1ccc(C)cc1NC(=O)c1nc(-c2cccc(CNC(=O)OC(C)(C)C)c2)nn2cccc12

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 3/20 0.44
▸ NAMPT P43490 4/20 0.37
▸ BRD4 O60885 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ GLS O94925 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ SUCNR1 Q9BXA5 1/20 0.32
▸ CCKBR P32239 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21439673 0.97 CFD (0.46) CFDNAMPTBRD4CYP2D6HDAC1
Hexane SCHEMBL21545376 0.93 CFD (0.43) CFDNAMPTBRD4HDAC1
Hexane SCHEMBL21545663 0.92 CFD (0.38) CFDNAMPTBRD4CYP2D6HDAC1
SCHEMBL21455912 0.90 CFD (0.45) CFDNAMPTBRD4CYP2D6HDAC1
Hexane SCHEMBL21545670 0.89 CFD (0.46) CFDNAMPTBRD4CYP2D6HDAC1
SCHEMBL21545169 0.89 CFD (0.40) CFDNAMPTBRD4CYP2D6HDAC1
SCHEMBL21545188 0.87 CFD (0.47) CFDNAMPTBRD4CYP2D6HDAC1
Hexane SCHEMBL21545675 0.87 CFD (0.41) CFDNAMPTCYP2D6MAPK1L3MBTL1
SCHEMBL21439605 0.86 CFD (0.48) CFDNAMPTBRD4CYP2D6HDAC1
SCHEMBL31266558 0.86 CFD (0.48) CFDNAMPTBRD4CYP2D6HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043610-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-07-23 — — US disclosed
US-11866418-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-01-09 — — US disclosed
US-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-20230099716-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-30 — — US disclosed
US-20230072867-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-03-09 — — US disclosed
US-11370774-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2022-06-28 — — US disclosed
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
US-20210221786-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-07-22 — — US disclosed
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
US-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-11-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230072867-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-12043610-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-11021458-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-20190345135-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-11866418-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-11370774-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-20210221786-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-20230099716-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885
US-11708347-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP CFD 17/4885NAMPT 126/4885BRD4 1106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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